pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.96	AttenGpKa training set	0	-1	NNC(=O)c1ccccc1I	N[N-]C(=O)c1ccccc1I	mol24895	NNC(=O)c1ccccc1I
2.81	AttenGpKa training set	1	0	[NH3+]NC(=O)c1ccccc1I	NNC(=O)c1ccccc1I	mol24895	NNC(=O)c1ccccc1I